Molecular clusters played an important role in the adsorption of polycyclic aromatic hydrocarbons (PAHs) on carbonaceous materials.

Yi, Peng; Zuo, Xiangzhi; Liang, Ni; Wu, Min; Chen, Quan; Zhang, Lijuan; Pan, Bo

Yi, Peng; Zuo, Xiangzhi; Liang, Ni; Wu, Min; Chen, Quan; Zhang, Lijuan; Pan, Bo.

Afiliação

Yi P; Yunnan Provincial Key Lab of Soil Carbon Sequestration and Pollution Control, Faculty of Environmental Science & Engineering, Kunming University of Science & Technology, Kunming, 650500, Yunnan, China.
Zuo X; Yunnan Provincial Key Lab of Soil Carbon Sequestration and Pollution Control, Faculty of Environmental Science & Engineering, Kunming University of Science & Technology, Kunming, 650500, Yunnan, China.
Liang N; Yunnan Provincial Key Lab of Soil Carbon Sequestration and Pollution Control, Faculty of Environmental Science & Engineering, Kunming University of Science & Technology, Kunming, 650500, Yunnan, China.
Wu M; Yunnan Provincial Key Lab of Soil Carbon Sequestration and Pollution Control, Faculty of Environmental Science & Engineering, Kunming University of Science & Technology, Kunming, 650500, Yunnan, China.
Chen Q; Yunnan Provincial Key Lab of Soil Carbon Sequestration and Pollution Control, Faculty of Environmental Science & Engineering, Kunming University of Science & Technology, Kunming, 650500, Yunnan, China. Electronic address: 18814122937@163.com.
Zhang L; School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou, 510640, China.
Pan B; Yunnan Provincial Key Lab of Soil Carbon Sequestration and Pollution Control, Faculty of Environmental Science & Engineering, Kunming University of Science & Technology, Kunming, 650500, Yunnan, China. Electronic address: panbocai@gmail.com.

Chemosphere ; 302: 134772, 2022 Sep.

Article em En | MEDLINE | ID: mdl-35526686

Assuntos

Grafite; Hidrocarbonetos Policíclicos Aromáticos; Adsorção; Interações Hidrofóbicas e Hidrofílicas; Hidrocarbonetos Policíclicos Aromáticos/química; Solventes

Palavras-chave

Density field; Intermolecular interactions; Molecular dynamics simulation; Radial distribution function; Self-interaction

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Hidrocarbonetos Policíclicos Aromáticos / Grafite Idioma: En Revista: Chemosphere Ano de publicação: 2022 Tipo de documento: Article País de afiliação: China País de publicação: Reino Unido

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